3-phenethylsulfanyl-5-propyl-1,2,4-triazol-4-amine

Systemtic Name: 3-phenethylsulfanyl-5-propyl-1,2,4-triazol-4-amine Openeye Name: 3-phenethylsulfanyl-5-propyl-1,2,4-triazol-4-amine CAS Name: 3-(phenethylthio)-5-propyl-1,2,4-triazol-4-amine IUPAC Name: 3-phenethylsulfanyl-5-propyl-1,2,4-triazol-4-amine Traditional Name: [3-(phenethylthio)-5-propyl-1,2,4-triazol-4-yl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCCC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN=C(N1N)SCCC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-2-6-12-15-16-13(17(12)14)18-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,14H2,1H3